N-[4-ethoxy-3-[1-methyl-3-(2-methylpropyl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-ethoxy-3-[1-methyl-3-(2-methylpropyl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl]phenyl]sulfonylbenzamide Openeye Name: N-[4-ethoxy-3-(3-isobutyl-1-methyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylbenzamide CAS Name: N-[4-ethoxy-3-[1-methyl-3-(2-methylpropyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl]phenyl]sulfonylbenzamide IUPAC Name: N-[4-ethoxy-3-[1-methyl-3-(2-methylpropyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl]phenyl]sulfonylbenzamide Traditional Name: N-[4-ethoxy-3-(3-isobutyl-7-keto-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylbenzamide Formula: C25H27N5O5S MolecularWeight: 509.57738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2)C3=NC(=O)C4=C(N3)C(=NN4C)CC(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2)C3=NC(=O)C4=C(N3)C(=NN4C)CC(C)C

InChI

InChI=1S/C25H27N5O5S/c1-5-35-20-12-11-17(36(33,34)29-24(31)16-9-7-6-8-10-16)14-18(20)23-26-21-19(13-15(2)3)28-30(4)22(21)25(32)27-23/h6-12,14-15H,5,13H2,1-4H3,(H,29,31)(H,26,27,32)